4-(3-bromophenyl)morpholine;hydrochloride

C10H13BrClNO — CID 46739823

IUPAC4-(3-bromophenyl)morpholine;hydrochloride
SMILESBrc1cccc(N2CCOCC2)c1.Cl
InChIInChI=1S/C10H12BrNO.ClH/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12;/h1-3,8H,4-7H2;1H
InChIKeyCVJROQPDPXSCRZ-UHFFFAOYSA-N
MW278.58 g/mol
LogP2.71
Rot. Bonds1

About 4-(3-bromophenyl)morpholine;hydrochloride

4-(3-bromophenyl)morpholine;hydrochloride (PubChem CID 46739823) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 4-(3-bromophenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(3-bromophenyl)morpholine;hydrochloride
PubChem CID46739823
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name4-(3-bromophenyl)morpholine;hydrochloride
SMILESBrc1cccc(N2CCOCC2)c1.Cl
InChIInChI=1S/C10H12BrNO.ClH/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12;/h1-3,8H,4-7H2;1H
InChIKeyCVJROQPDPXSCRZ-UHFFFAOYSA-N
XLogP2.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)morpholine;hydrochloride?
The IUPAC name of 4-(3-bromophenyl)morpholine;hydrochloride (CID 46739823) is 4-(3-bromophenyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(3-bromophenyl)morpholine;hydrochloride?
The canonical SMILES for 4-(3-bromophenyl)morpholine;hydrochloride is Brc1cccc(N2CCOCC2)c1.Cl.
What is the InChIKey of 4-(3-bromophenyl)morpholine;hydrochloride?
The InChIKey is CVJROQPDPXSCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO.ClH/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12;/h1-3,8H,4-7H2;1H.
What are the key properties of 4-(3-bromophenyl)morpholine;hydrochloride?
4-(3-bromophenyl)morpholine;hydrochloride has a molecular weight of 278.58 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)morpholine;hydrochloride is sourced from PubChem (CID 46739823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).